(2S)-1-[(3S)-1-acetylpiperidine-3-carbonyl]-N-(4-methoxyphenyl)pyrrolidine-2-carboxamide

C20H27N3O4 — CID 52512688

IUPAC(2S)-1-[(3S)-1-acetylpiperidine-3-carbonyl]-N-(4-methoxyphenyl)pyrrolidine-2-carboxamide
SMILESCOc1ccc(NC(=O)[C@@H]2CCCN2C(=O)[C@H]2CCCN(C(C)=O)C2)cc1
InChIInChI=1S/C20H27N3O4/c1-14(24)22-11-3-5-15(13-22)20(26)23-12-4-6-18(23)19(25)21-16-7-9-17(27-2)10-8-16/h7-10,15,18H,3-6,11-13H2,1-2H3,(H,21,25)/t15-,18-/m0/s1
InChIKeyPPZPJPLRJAJPOT-YJBOKZPZSA-N
MW373.45 g/mol
LogP1.88
Rot. Bonds4

About (2S)-1-[(3S)-1-acetylpiperidine-3-carbonyl]-N-(4-methoxyphenyl)pyrrolidine-2-carboxamide

(2S)-1-[(3S)-1-acetylpiperidine-3-carbonyl]-N-(4-methoxyphenyl)pyrrolidine-2-carboxamide (PubChem CID 52512688) has the molecular formula C20H27N3O4 and a molecular weight of 373.45 g/mol. Its IUPAC name is (2S)-1-[(3S)-1-acetylpiperidine-3-carbonyl]-N-(4-methoxyphenyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-1-[(3S)-1-acetylpiperidine-3-carbonyl]-N-(4-methoxyphenyl)pyrrolidine-2-carboxamide
PubChem CID52512688
Molecular FormulaC20H27N3O4
Molecular Weight373.45 g/mol
Exact Mass373.20
IUPAC Name(2S)-1-[(3S)-1-acetylpiperidine-3-carbonyl]-N-(4-methoxyphenyl)pyrrolidine-2-carboxamide
SMILESCOc1ccc(NC(=O)[C@@H]2CCCN2C(=O)[C@H]2CCCN(C(C)=O)C2)cc1
InChIInChI=1S/C20H27N3O4/c1-14(24)22-11-3-5-15(13-22)20(26)23-12-4-6-18(23)19(25)21-16-7-9-17(27-2)10-8-16/h7-10,15,18H,3-6,11-13H2,1-2H3,(H,21,25)/t15-,18-/m0/s1
InChIKeyPPZPJPLRJAJPOT-YJBOKZPZSA-N
XLogP1.88
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.45
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-N-(4-acetamidophenyl)-1-N-(4-methoxyphenyl)pyrrolidine-1,2-dicarboxamide
CID 1468944
(2S)-1-(cyclopropanecarbonyl)-N-[4-(3-methoxyphenoxy)phenyl]pyrrolidine-2-carboxamide
CID 131909515
(3S)-N-(4-methoxyphenyl)-3-(pyrrolidine-1-carbonyl)piperidine-1-carbothioamide
CID 1257728
(2S)-1-(cyclohexanecarbonyl)-N-(6-methoxy-3-pyridinyl)pyrrolidine-2-carboxamide
CID 51951158
2-N-(4-acetylphenyl)-1-N-(4-methoxyphenyl)pyrrolidine-1,2-dicarboxamide
CID 43814291
(2R)-1-N-cyclohexyl-2-N-(4-methoxyphenyl)pyrrolidine-1,2-dicarboxamide
CID 1468740
1-(1-benzylsulfonylpiperidine-4-carbonyl)-N-(4-methoxyphenyl)pyrrolidine-2-carboxamide
CID 55966869
N-(4-methoxyphenyl)-1-[1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carbonyl]pyrrolidine-2-carboxamide
CID 55966988
(2S)-N-(4-methoxyphenyl)-1-(2-oxo-2-piperidin-1-ylethyl)pyrrolidine-2-carboxamide
CID 94447591
tert-butyl 2-[(4-methoxyphenyl)carbamoyl]pyrrolidine-1-carboxylate
CID 2876068
tert-butyl (2R)-2-[(4-methoxyphenyl)carbamoyl]pyrrolidine-1-carboxylate
CID 797689
N-(4-methoxyphenyl)-4-(pyrrolidine-1-carbonyl)cyclohexane-1-carboxamide
CID 109145697

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[(3S)-1-acetylpiperidine-3-carbonyl]-N-(4-methoxyphenyl)pyrrolidine-2-carboxamide?
The IUPAC name of (2S)-1-[(3S)-1-acetylpiperidine-3-carbonyl]-N-(4-methoxyphenyl)pyrrolidine-2-carboxamide (CID 52512688) is (2S)-1-[(3S)-1-acetylpiperidine-3-carbonyl]-N-(4-methoxyphenyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-1-[(3S)-1-acetylpiperidine-3-carbonyl]-N-(4-methoxyphenyl)pyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-1-[(3S)-1-acetylpiperidine-3-carbonyl]-N-(4-methoxyphenyl)pyrrolidine-2-carboxamide is COc1ccc(NC(=O)[C@@H]2CCCN2C(=O)[C@H]2CCCN(C(C)=O)C2)cc1.
What is the InChIKey of (2S)-1-[(3S)-1-acetylpiperidine-3-carbonyl]-N-(4-methoxyphenyl)pyrrolidine-2-carboxamide?
The InChIKey is PPZPJPLRJAJPOT-YJBOKZPZSA-N. The full InChI is InChI=1S/C20H27N3O4/c1-14(24)22-11-3-5-15(13-22)20(26)23-12-4-6-18(23)19(25)21-16-7-9-17(27-2)10-8-16/h7-10,15,18H,3-6,11-13H2,1-2H3,(H,21,25)/t15-,18-/m0/s1.
What are the key properties of (2S)-1-[(3S)-1-acetylpiperidine-3-carbonyl]-N-(4-methoxyphenyl)pyrrolidine-2-carboxamide?
(2S)-1-[(3S)-1-acetylpiperidine-3-carbonyl]-N-(4-methoxyphenyl)pyrrolidine-2-carboxamide has a molecular weight of 373.45 g/mol, XLogP of 1.88, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[(3S)-1-acetylpiperidine-3-carbonyl]-N-(4-methoxyphenyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 52512688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).